1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide

C12H14N2O4S — CID 2956935

IUPAC1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCC2C(N)=O)cc1
InChIInChI=1S/C12H14N2O4S/c1-8-2-4-9(5-3-8)19(17,18)14-10(12(13)16)6-7-11(14)15/h2-5,10H,6-7H2,1H3,(H2,13,16)
InChIKeyDDXLVPKBQMYTPT-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.16
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide

1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 2956935) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
PubChem CID2956935
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCC2C(N)=O)cc1
InChIInChI=1S/C12H14N2O4S/c1-8-2-4-9(5-3-8)19(17,18)14-10(12(13)16)6-7-11(14)15/h2-5,10H,6-7H2,1H3,(H2,13,16)
InChIKeyDDXLVPKBQMYTPT-UHFFFAOYSA-N
XLogP0.16
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide (CID 2956935) is 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(N)=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DDXLVPKBQMYTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-8-2-4-9(5-3-8)19(17,18)14-10(12(13)16)6-7-11(14)15/h2-5,10H,6-7H2,1H3,(H2,13,16).
What are the key properties of 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 2956935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).